Geometry & MOs

Info

ID:	242786
PubChem CID:	99206308
Reduced:	ON6C21H24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	379.02416
ΔH_f, kcal/mol:	61.5
Dipole, Da:	6.54
IP(EA), eV:	-8.72(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromonaphthalen-2-yl)oxy-1-(1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations